title: First-principles study of blue silicate phosphors.
abstract: First-principles calculations were performed to investigate the optical property of blue silicate phosphor, CMS:Eu. The optical absorption property is discussed based on electronic band structure and density of states. Our calculation results indicate that hybridization of the wavefunction plays an important role for nonradiative migration of electrons and holes. The calculated optical absorption spectrum could reproduce the optical features of the experimental excitation spectrum. It is also demonstrated that a practical approach using computational materials screening is effective in phosphor materials development.
authors.affiliation: Tsukuba Research Laboratory, Sumitomo Chemical Co. Ltd, 6 Kitahara, Tsukuba 300-3294, Japan. ishida@tuc.sumitomo-chem.co.jp
authors.forename: M
authors.initials: M
authors.lastname: Ishida
authors.forename: Y
authors.initials: Y
authors.lastname: Imanari
authors.forename: T
authors.initials: T
authors.lastname: Isobe
authors.forename: S
authors.initials: S
authors.lastname: Kuze
authors.forename: T
authors.initials: T
authors.lastname: Ezuhara
authors.forename: T
authors.initials: T
authors.lastname: Umeda
authors.forename: K
authors.initials: K
authors.lastname: Ohno
authors.forename: S
authors.initials: S
authors.lastname: Miyazaki